UCSF

ZINC23038265

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 27 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.90 8.36 -54.98 1 7 0 93 389.839 7
Hi High (pH 8-9.5) 2.90 5.94 -48.96 0 7 -1 92 388.831 7
Mid Mid (pH 6-8) 2.45 6.82 -26.22 1 7 0 88 389.839 7

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )